(Q27139261)

2'-des-methyl indomethacin (English)

19 October 2016

chemical formula

C₁₈H₁₄ClNO₄

1 reference

2'-des-methyl indomethacin (English)

19 October 2016

canonical SMILES

COC1=CC2=C(C=C1)N(C=C2CC(=O)O)C(=O)C3=CC=C(C=C3)Cl

1 reference

2'-des-methyl indomethacin (English)

InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22)

19 October 2016

Identifiers

InChI

1 reference

2'-des-methyl indomethacin (English)

DHEMTWWLRLOBKI-UHFFFAOYSA-N

19 October 2016

InChIKey

2 references

2'-des-methyl indomethacin (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

[1-(4-Chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid (English)

19 October 2016

2 references

2'-des-methyl indomethacin (English)

matched by identifier from

19 October 2016

InChIKey

DHEMTWWLRLOBKI-UHFFFAOYSA-N

Reaxys registry number

440457

1 reference

2-demethylindomethacin (English)

19 October 2016

ChEBI ID

71026

mapping relation type

2 references

2-demethylindomethacin (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22)

1 reference

Immune Epitope Database and Analysis Resource

CHEMBL503179 (English)

19 October 2016

1 reference

1 reference

1 March 2022

0 references

1 reference

4DBW (English)